Information card for entry 7127166

Structure parameters

• Formula: C21 H27 N6 O14 Yb
• Calculated formula: C21 H27 N6 O14 Yb
• Title of publication: Rationally designed rare earth separation by selective oxalate solubilization.
• Authors of publication: Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 77
• Pages of publication: 11386 - 11389
• a: 8.8524 ± 0.0018 Å
• b: 10.434 ± 0.002 Å
• c: 15.937 ± 0.003 Å
• α: 87.131 ± 0.002°
• β: 87.135 ± 0.002°
• γ: 88.571 ± 0.002°
• Cell volume: 1468 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No